3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide

C23H27ClN2O3 — CID 42785120

IUPAC3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)C2CCC2)C3)cc1
InChIInChI=1S/C23H27ClN2O3/c1-23(2,14-24)22(28)25-18-8-6-15(7-9-18)20-12-17-13-26(11-10-19(17)29-20)21(27)16-4-3-5-16/h6-9,12,16H,3-5,10-11,13-14H2,1-2H3,(H,25,28)
InChIKeyQXBAUIQZQUYHKL-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.83
Rot. Bonds5

About 3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide

3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 42785120) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID42785120
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)C2CCC2)C3)cc1
InChIInChI=1S/C23H27ClN2O3/c1-23(2,14-24)22(28)25-18-8-6-15(7-9-18)20-12-17-13-26(11-10-19(17)29-20)21(27)16-4-3-5-16/h6-9,12,16H,3-5,10-11,13-14H2,1-2H3,(H,25,28)
InChIKeyQXBAUIQZQUYHKL-UHFFFAOYSA-N
XLogP4.83
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide (CID 42785120) is 3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)C2CCC2)C3)cc1.
What is the InChIKey of 3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is QXBAUIQZQUYHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-23(2,14-24)22(28)25-18-8-6-15(7-9-18)20-12-17-13-26(11-10-19(17)29-20)21(27)16-4-3-5-16/h6-9,12,16H,3-5,10-11,13-14H2,1-2H3,(H,25,28).
What are the key properties of 3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide?
3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 414.93 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 42785120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).